CONFLIST PHO        PHOBK PHO01 PHO0O PHO-1 PHO-O 

NATOM    PHOBK      20
NATOM    PHO01      79
NATOM    PHO0O      79
NATOM    PHO-1      79
NATOM    PHO-O      79

IATOM    PHOBK  C1  0
IATOM    PHOBK  C2  1
IATOM    PHOBK  C3  2
IATOM    PHOBK  C4  3
IATOM    PHOBK  C5  4
IATOM    PHOBK  C6  5
IATOM    PHOBK  C7  6
IATOM    PHOBK  C8  7
IATOM    PHOBK  C9  8
IATOM    PHOBK  C10 9
IATOM    PHOBK  C11 10
IATOM    PHOBK  C12 11
IATOM    PHOBK  C13 12
IATOM    PHOBK  C14 13
IATOM    PHOBK  C15 14
IATOM    PHOBK  C16 15
IATOM    PHOBK  C17 16
IATOM    PHOBK  C18 17
IATOM    PHOBK  C19 18
IATOM    PHOBK  C20 19

IATOM    PHO01  CHA 0
IATOM    PHO01  CHB 1
IATOM    PHO01  CHC 2
IATOM    PHO01  CHD 3
IATOM    PHO01  HHB 4
IATOM    PHO01  HHC 5
IATOM    PHO01  HHD 6
IATOM    PHO01  N A 7
IATOM    PHO01  C1A 8
IATOM    PHO01  C2A 9
IATOM    PHO01  C3A 10
IATOM    PHO01  C4A 11
IATOM    PHO01  CMA 12
IATOM    PHO01  CAA 13
IATOM    PHO01  CBA 14
IATOM    PHO01  CGA 15
IATOM    PHO01  O1A 16
IATOM    PHO01  O2A 17
IATOM    PHO01 1HMA 18
IATOM    PHO01 2HMA 19
IATOM    PHO01 3HMA 20
IATOM    PHO01  H2A 21
IATOM    PHO01  H3A 22
IATOM    PHO01 1HAA 23
IATOM    PHO01 2HAA 24
IATOM    PHO01 1HBA 25
IATOM    PHO01 2HBA 26
IATOM    PHO01  N B 27
IATOM    PHO01  C1B 28
IATOM    PHO01  C2B 29
IATOM    PHO01  C3B 30
IATOM    PHO01  C4B 31
IATOM    PHO01  CMB 32
IATOM    PHO01  CAB 33
IATOM    PHO01  CBB 34
IATOM    PHO01  HAB 35
IATOM    PHO01 1HMB 36
IATOM    PHO01 2HMB 37
IATOM    PHO01 3HMB 38
IATOM    PHO01 1HBB 39
IATOM    PHO01 2HBB 40
IATOM    PHO01  N C 41
IATOM    PHO01  C1C 42
IATOM    PHO01  C2C 43
IATOM    PHO01  C3C 44
IATOM    PHO01  C4C 45
IATOM    PHO01  CMC 46
IATOM    PHO01  CAC 47
IATOM    PHO01  CBC 48
IATOM    PHO01 1HMC 49
IATOM    PHO01 2HMC 50
IATOM    PHO01 3HMC 51
IATOM    PHO01 1HAC 52
IATOM    PHO01 1HBC 53
IATOM    PHO01 2HBC 54
IATOM    PHO01 3HBC 55
IATOM    PHO01 2HAC 56
IATOM    PHO01  N D 57
IATOM    PHO01  C1D 58
IATOM    PHO01  C2D 59
IATOM    PHO01  C3D 60
IATOM    PHO01  C4D 61
IATOM    PHO01  CMD 62
IATOM    PHO01  CAD 63
IATOM    PHO01  OBD 64
IATOM    PHO01  CBD 65
IATOM    PHO01  CGD 66
IATOM    PHO01  O1D 67
IATOM    PHO01  O2D 68
IATOM    PHO01  CED 69
IATOM    PHO01 1HMD 70
IATOM    PHO01 2HMD 71
IATOM    PHO01 3HMD 72
IATOM    PHO01  HBD 73
IATOM    PHO01 1HED 74
IATOM    PHO01 2HED 75
IATOM    PHO01 3HED 76
IATOM    PHO01  HNB 77
IATOM    PHO01  HND 78

IATOM    PHO0O  CHA 0
IATOM    PHO0O  CHB 1
IATOM    PHO0O  CHC 2
IATOM    PHO0O  CHD 3
IATOM    PHO0O  HHB 4
IATOM    PHO0O  HHC 5
IATOM    PHO0O  HHD 6
IATOM    PHO0O  N A 7
IATOM    PHO0O  C1A 8
IATOM    PHO0O  C2A 9
IATOM    PHO0O  C3A 10
IATOM    PHO0O  C4A 11
IATOM    PHO0O  CMA 12
IATOM    PHO0O  CAA 13
IATOM    PHO0O  CBA 14
IATOM    PHO0O  CGA 15
IATOM    PHO0O  O1A 16
IATOM    PHO0O  O2A 17
IATOM    PHO0O 1HMA 18
IATOM    PHO0O 2HMA 19
IATOM    PHO0O 3HMA 20
IATOM    PHO0O  H2A 21
IATOM    PHO0O  H3A 22
IATOM    PHO0O 1HAA 23
IATOM    PHO0O 2HAA 24
IATOM    PHO0O 1HBA 25
IATOM    PHO0O 2HBA 26
IATOM    PHO0O  N B 27
IATOM    PHO0O  C1B 28
IATOM    PHO0O  C2B 29
IATOM    PHO0O  C3B 30
IATOM    PHO0O  C4B 31
IATOM    PHO0O  CMB 32
IATOM    PHO0O  CAB 33
IATOM    PHO0O  CBB 34
IATOM    PHO0O  HAB 35
IATOM    PHO0O 1HMB 36
IATOM    PHO0O 2HMB 37
IATOM    PHO0O 3HMB 38
IATOM    PHO0O 1HBB 39
IATOM    PHO0O 2HBB 40
IATOM    PHO0O  N C 41
IATOM    PHO0O  C1C 42
IATOM    PHO0O  C2C 43
IATOM    PHO0O  C3C 44
IATOM    PHO0O  C4C 45
IATOM    PHO0O  CMC 46
IATOM    PHO0O  CAC 47
IATOM    PHO0O  CBC 48
IATOM    PHO0O 1HMC 49
IATOM    PHO0O 2HMC 50
IATOM    PHO0O 3HMC 51
IATOM    PHO0O 1HAC 52
IATOM    PHO0O 1HBC 53
IATOM    PHO0O 2HBC 54
IATOM    PHO0O 3HBC 55
IATOM    PHO0O 2HAC 56
IATOM    PHO0O  N D 57
IATOM    PHO0O  C1D 58
IATOM    PHO0O  C2D 59
IATOM    PHO0O  C3D 60
IATOM    PHO0O  C4D 61
IATOM    PHO0O  CMD 62
IATOM    PHO0O  CAD 63
IATOM    PHO0O  OBD 64
IATOM    PHO0O  CBD 65
IATOM    PHO0O  CGD 66
IATOM    PHO0O  O1D 67
IATOM    PHO0O  O2D 68
IATOM    PHO0O  CED 69
IATOM    PHO0O 1HMD 70
IATOM    PHO0O 2HMD 71
IATOM    PHO0O 3HMD 72
IATOM    PHO0O  HBD 73
IATOM    PHO0O 1HED 74
IATOM    PHO0O 2HED 75
IATOM    PHO0O 3HED 76
IATOM    PHO0O  HNB 77
IATOM    PHO0O  HND 78

IATOM    PHO-1  CHA 0
IATOM    PHO-1  CHB 1
IATOM    PHO-1  CHC 2
IATOM    PHO-1  CHD 3
IATOM    PHO-1  HHB 4
IATOM    PHO-1  HHC 5
IATOM    PHO-1  HHD 6
IATOM    PHO-1  N A 7
IATOM    PHO-1  C1A 8
IATOM    PHO-1  C2A 9
IATOM    PHO-1  C3A 10
IATOM    PHO-1  C4A 11
IATOM    PHO-1  CMA 12
IATOM    PHO-1  CAA 13
IATOM    PHO-1  CBA 14
IATOM    PHO-1  CGA 15
IATOM    PHO-1  O1A 16
IATOM    PHO-1  O2A 17
IATOM    PHO-1 1HMA 18
IATOM    PHO-1 2HMA 19
IATOM    PHO-1 3HMA 20
IATOM    PHO-1  H2A 21
IATOM    PHO-1  H3A 22
IATOM    PHO-1 1HAA 23
IATOM    PHO-1 2HAA 24
IATOM    PHO-1 1HBA 25
IATOM    PHO-1 2HBA 26
IATOM    PHO-1  N B 27
IATOM    PHO-1  C1B 28
IATOM    PHO-1  C2B 29
IATOM    PHO-1  C3B 30
IATOM    PHO-1  C4B 31
IATOM    PHO-1  CMB 32
IATOM    PHO-1  CAB 33
IATOM    PHO-1  CBB 34
IATOM    PHO-1  HAB 35
IATOM    PHO-1 1HMB 36
IATOM    PHO-1 2HMB 37
IATOM    PHO-1 3HMB 38
IATOM    PHO-1 1HBB 39
IATOM    PHO-1 2HBB 40
IATOM    PHO-1  N C 41
IATOM    PHO-1  C1C 42
IATOM    PHO-1  C2C 43
IATOM    PHO-1  C3C 44
IATOM    PHO-1  C4C 45
IATOM    PHO-1  CMC 46
IATOM    PHO-1  CAC 47
IATOM    PHO-1  CBC 48
IATOM    PHO-1 1HMC 49
IATOM    PHO-1 2HMC 50
IATOM    PHO-1 3HMC 51
IATOM    PHO-1 1HAC 52
IATOM    PHO-1 1HBC 53
IATOM    PHO-1 2HBC 54
IATOM    PHO-1 3HBC 55
IATOM    PHO-1 2HAC 56
IATOM    PHO-1  N D 57
IATOM    PHO-1  C1D 58
IATOM    PHO-1  C2D 59
IATOM    PHO-1  C3D 60
IATOM    PHO-1  C4D 61
IATOM    PHO-1  CMD 62
IATOM    PHO-1  CAD 63
IATOM    PHO-1  OBD 64
IATOM    PHO-1  CBD 65
IATOM    PHO-1  CGD 66
IATOM    PHO-1  O1D 67
IATOM    PHO-1  O2D 68
IATOM    PHO-1  CED 69
IATOM    PHO-1 1HMD 70
IATOM    PHO-1 2HMD 71
IATOM    PHO-1 3HMD 72
IATOM    PHO-1  HBD 73
IATOM    PHO-1 1HED 74
IATOM    PHO-1 2HED 75
IATOM    PHO-1 3HED 76
IATOM    PHO-1  HNB 77
IATOM    PHO-1  HND 78

IATOM    PHO-O  CHA 0
IATOM    PHO-O  CHB 1
IATOM    PHO-O  CHC 2
IATOM    PHO-O  CHD 3
IATOM    PHO-O  HHB 4
IATOM    PHO-O  HHC 5
IATOM    PHO-O  HHD 6
IATOM    PHO-O  N A 7
IATOM    PHO-O  C1A 8
IATOM    PHO-O  C2A 9
IATOM    PHO-O  C3A 10
IATOM    PHO-O  C4A 11
IATOM    PHO-O  CMA 12
IATOM    PHO-O  CAA 13
IATOM    PHO-O  CBA 14
IATOM    PHO-O  CGA 15
IATOM    PHO-O  O1A 16
IATOM    PHO-O  O2A 17
IATOM    PHO-O 1HMA 18
IATOM    PHO-O 2HMA 19
IATOM    PHO-O 3HMA 20
IATOM    PHO-O  H2A 21
IATOM    PHO-O  H3A 22
IATOM    PHO-O 1HAA 23
IATOM    PHO-O 2HAA 24
IATOM    PHO-O 1HBA 25
IATOM    PHO-O 2HBA 26
IATOM    PHO-O  N B 27
IATOM    PHO-O  C1B 28
IATOM    PHO-O  C2B 29
IATOM    PHO-O  C3B 30
IATOM    PHO-O  C4B 31
IATOM    PHO-O  CMB 32
IATOM    PHO-O  CAB 33
IATOM    PHO-O  CBB 34
IATOM    PHO-O  HAB 35
IATOM    PHO-O 1HMB 36
IATOM    PHO-O 2HMB 37
IATOM    PHO-O 3HMB 38
IATOM    PHO-O 1HBB 39
IATOM    PHO-O 2HBB 40
IATOM    PHO-O  N C 41
IATOM    PHO-O  C1C 42
IATOM    PHO-O  C2C 43
IATOM    PHO-O  C3C 44
IATOM    PHO-O  C4C 45
IATOM    PHO-O  CMC 46
IATOM    PHO-O  CAC 47
IATOM    PHO-O  CBC 48
IATOM    PHO-O 1HMC 49
IATOM    PHO-O 2HMC 50
IATOM    PHO-O 3HMC 51
IATOM    PHO-O 1HAC 52
IATOM    PHO-O 1HBC 53
IATOM    PHO-O 2HBC 54
IATOM    PHO-O 3HBC 55
IATOM    PHO-O 2HAC 56
IATOM    PHO-O  N D 57
IATOM    PHO-O  C1D 58
IATOM    PHO-O  C2D 59
IATOM    PHO-O  C3D 60
IATOM    PHO-O  C4D 61
IATOM    PHO-O  CMD 62
IATOM    PHO-O  CAD 63
IATOM    PHO-O  OBD 64
IATOM    PHO-O  CBD 65
IATOM    PHO-O  CGD 66
IATOM    PHO-O  O1D 67
IATOM    PHO-O  O2D 68
IATOM    PHO-O  CED 69
IATOM    PHO-O 1HMD 70
IATOM    PHO-O 2HMD 71
IATOM    PHO-O 3HMD 72
IATOM    PHO-O  HBD 73
IATOM    PHO-O 1HED 74
IATOM    PHO-O 2HED 75
IATOM    PHO-O 3HED 76
IATOM    PHO-O  HNB 77
IATOM    PHO-O  HND 78

ATOMNAME PHOBK    0  C1 
ATOMNAME PHOBK    1  C2 
ATOMNAME PHOBK    2  C3 
ATOMNAME PHOBK    3  C4 
ATOMNAME PHOBK    4  C5
ATOMNAME PHOBK    5  C6
ATOMNAME PHOBK    6  C7  
ATOMNAME PHOBK    7  C8  
ATOMNAME PHOBK    8  C9  
ATOMNAME PHOBK    9  C10 
ATOMNAME PHOBK   10  C11 
ATOMNAME PHOBK   11  C12 
ATOMNAME PHOBK   12  C13 
ATOMNAME PHOBK   13  C14 
ATOMNAME PHOBK   14  C15 
ATOMNAME PHOBK   15  C16 
ATOMNAME PHOBK   16  C17 
ATOMNAME PHOBK   17  C18 
ATOMNAME PHOBK   18  C19 
ATOMNAME PHOBK   19  C20
  
ATOMNAME PHO01    0  CHA
ATOMNAME PHO01    1  CHB
ATOMNAME PHO01    2  CHC
ATOMNAME PHO01    3  CHD
ATOMNAME PHO01    4  HHB
ATOMNAME PHO01    5  HHC
ATOMNAME PHO01    6  HHD
ATOMNAME PHO01    7  N A
ATOMNAME PHO01    8  C1A
ATOMNAME PHO01    9  C2A
ATOMNAME PHO01   10  C3A
ATOMNAME PHO01   11  C4A
ATOMNAME PHO01   12  CMA
ATOMNAME PHO01   13  CAA
ATOMNAME PHO01   14  CBA
ATOMNAME PHO01   15  CGA
ATOMNAME PHO01   16  O1A
ATOMNAME PHO01   17  O2A
ATOMNAME PHO01   18 1HMA
ATOMNAME PHO01   19 2HMA
ATOMNAME PHO01   20 3HMA
ATOMNAME PHO01   21  H2A
ATOMNAME PHO01   22  H3A
ATOMNAME PHO01   23 1HAA
ATOMNAME PHO01   24 2HAA
ATOMNAME PHO01   25 1HBA
ATOMNAME PHO01   26 2HBA
ATOMNAME PHO01   27  N B
ATOMNAME PHO01   28  C1B
ATOMNAME PHO01   29  C2B
ATOMNAME PHO01   30  C3B
ATOMNAME PHO01   31  C4B
ATOMNAME PHO01   32  CMB
ATOMNAME PHO01   33  CAB
ATOMNAME PHO01   34  CBB
ATOMNAME PHO01   35  HAB
ATOMNAME PHO01   36 1HMB
ATOMNAME PHO01   37 2HMB
ATOMNAME PHO01   38 3HMB
ATOMNAME PHO01   39 1HBB
ATOMNAME PHO01   40 2HBB
ATOMNAME PHO01   41  N C
ATOMNAME PHO01   42  C1C
ATOMNAME PHO01   43  C2C
ATOMNAME PHO01   44  C3C
ATOMNAME PHO01   45  C4C
ATOMNAME PHO01   46  CMC
ATOMNAME PHO01   47  CAC
ATOMNAME PHO01   48  CBC
ATOMNAME PHO01   49 1HMC
ATOMNAME PHO01   50 2HMC
ATOMNAME PHO01   51 3HMC
ATOMNAME PHO01   52 1HAC
ATOMNAME PHO01   53 1HBC
ATOMNAME PHO01   54 2HBC
ATOMNAME PHO01   55 3HBC
ATOMNAME PHO01   56 2HAC
ATOMNAME PHO01   57  N D
ATOMNAME PHO01   58  C1D
ATOMNAME PHO01   59  C2D
ATOMNAME PHO01   60  C3D
ATOMNAME PHO01   61  C4D
ATOMNAME PHO01   62  CMD
ATOMNAME PHO01   63  CAD
ATOMNAME PHO01   64  OBD
ATOMNAME PHO01   65  CBD
ATOMNAME PHO01   66  CGD
ATOMNAME PHO01   67  O1D
ATOMNAME PHO01   68  O2D
ATOMNAME PHO01   69  CED
ATOMNAME PHO01   70 1HMD
ATOMNAME PHO01   71 2HMD
ATOMNAME PHO01   72 3HMD
ATOMNAME PHO01   73  HBD
ATOMNAME PHO01   74 1HED
ATOMNAME PHO01   75 2HED
ATOMNAME PHO01   76 3HED
ATOMNAME PHO01   77  HNB
ATOMNAME PHO01   78  HND

ATOMNAME PHO0O    0  CHA
ATOMNAME PHO0O    1  CHB
ATOMNAME PHO0O    2  CHC
ATOMNAME PHO0O    3  CHD
ATOMNAME PHO0O    4  HHB
ATOMNAME PHO0O    5  HHC
ATOMNAME PHO0O    6  HHD
ATOMNAME PHO0O    7  N A
ATOMNAME PHO0O    8  C1A
ATOMNAME PHO0O    9  C2A
ATOMNAME PHO0O   10  C3A
ATOMNAME PHO0O   11  C4A
ATOMNAME PHO0O   12  CMA
ATOMNAME PHO0O   13  CAA
ATOMNAME PHO0O   14  CBA
ATOMNAME PHO0O   15  CGA
ATOMNAME PHO0O   16  O1A
ATOMNAME PHO0O   17  O2A
ATOMNAME PHO0O   18 1HMA
ATOMNAME PHO0O   19 2HMA
ATOMNAME PHO0O   20 3HMA
ATOMNAME PHO0O   21  H2A
ATOMNAME PHO0O   22  H3A
ATOMNAME PHO0O   23 1HAA
ATOMNAME PHO0O   24 2HAA
ATOMNAME PHO0O   25 1HBA
ATOMNAME PHO0O   26 2HBA
ATOMNAME PHO0O   27  N B
ATOMNAME PHO0O   28  C1B
ATOMNAME PHO0O   29  C2B
ATOMNAME PHO0O   30  C3B
ATOMNAME PHO0O   31  C4B
ATOMNAME PHO0O   32  CMB
ATOMNAME PHO0O   33  CAB
ATOMNAME PHO0O   34  CBB
ATOMNAME PHO0O   35  HAB
ATOMNAME PHO0O   36 1HMB
ATOMNAME PHO0O   37 2HMB
ATOMNAME PHO0O   38 3HMB
ATOMNAME PHO0O   39 1HBB
ATOMNAME PHO0O   40 2HBB
ATOMNAME PHO0O   41  N C
ATOMNAME PHO0O   42  C1C
ATOMNAME PHO0O   43  C2C
ATOMNAME PHO0O   44  C3C
ATOMNAME PHO0O   45  C4C
ATOMNAME PHO0O   46  CMC
ATOMNAME PHO0O   47  CAC
ATOMNAME PHO0O   48  CBC
ATOMNAME PHO0O   49 1HMC
ATOMNAME PHO0O   50 2HMC
ATOMNAME PHO0O   51 3HMC
ATOMNAME PHO0O   52 1HAC
ATOMNAME PHO0O   53 1HBC
ATOMNAME PHO0O   54 2HBC
ATOMNAME PHO0O   55 3HBC
ATOMNAME PHO0O   56 2HAC
ATOMNAME PHO0O   57  N D
ATOMNAME PHO0O   58  C1D
ATOMNAME PHO0O   59  C2D
ATOMNAME PHO0O   60  C3D
ATOMNAME PHO0O   61  C4D
ATOMNAME PHO0O   62  CMD
ATOMNAME PHO0O   63  CAD
ATOMNAME PHO0O   64  OBD
ATOMNAME PHO0O   65  CBD
ATOMNAME PHO0O   66  CGD
ATOMNAME PHO0O   67  O1D
ATOMNAME PHO0O   68  O2D
ATOMNAME PHO0O   69  CED
ATOMNAME PHO0O   70 1HMD
ATOMNAME PHO0O   71 2HMD
ATOMNAME PHO0O   72 3HMD
ATOMNAME PHO0O   73  HBD
ATOMNAME PHO0O   74 1HED
ATOMNAME PHO0O   75 2HED
ATOMNAME PHO0O   76 3HED
ATOMNAME PHO0O   77  HNB
ATOMNAME PHO0O   78  HND

ATOMNAME PHO-1    0  CHA
ATOMNAME PHO-1    1  CHB
ATOMNAME PHO-1    2  CHC
ATOMNAME PHO-1    3  CHD
ATOMNAME PHO-1    4  HHB
ATOMNAME PHO-1    5  HHC
ATOMNAME PHO-1    6  HHD
ATOMNAME PHO-1    7  N A
ATOMNAME PHO-1    8  C1A
ATOMNAME PHO-1    9  C2A
ATOMNAME PHO-1   10  C3A
ATOMNAME PHO-1   11  C4A
ATOMNAME PHO-1   12  CMA
ATOMNAME PHO-1   13  CAA
ATOMNAME PHO-1   14  CBA
ATOMNAME PHO-1   15  CGA
ATOMNAME PHO-1   16  O1A
ATOMNAME PHO-1   17  O2A
ATOMNAME PHO-1   18 1HMA
ATOMNAME PHO-1   19 2HMA
ATOMNAME PHO-1   20 3HMA
ATOMNAME PHO-1   21  H2A
ATOMNAME PHO-1   22  H3A
ATOMNAME PHO-1   23 1HAA
ATOMNAME PHO-1   24 2HAA
ATOMNAME PHO-1   25 1HBA
ATOMNAME PHO-1   26 2HBA
ATOMNAME PHO-1   27  N B
ATOMNAME PHO-1   28  C1B
ATOMNAME PHO-1   29  C2B
ATOMNAME PHO-1   30  C3B
ATOMNAME PHO-1   31  C4B
ATOMNAME PHO-1   32  CMB
ATOMNAME PHO-1   33  CAB
ATOMNAME PHO-1   34  CBB
ATOMNAME PHO-1   35  HAB
ATOMNAME PHO-1   36 1HMB
ATOMNAME PHO-1   37 2HMB
ATOMNAME PHO-1   38 3HMB
ATOMNAME PHO-1   39 1HBB
ATOMNAME PHO-1   40 2HBB
ATOMNAME PHO-1   41  N C
ATOMNAME PHO-1   42  C1C
ATOMNAME PHO-1   43  C2C
ATOMNAME PHO-1   44  C3C
ATOMNAME PHO-1   45  C4C
ATOMNAME PHO-1   46  CMC
ATOMNAME PHO-1   47  CAC
ATOMNAME PHO-1   48  CBC
ATOMNAME PHO-1   49 1HMC
ATOMNAME PHO-1   50 2HMC
ATOMNAME PHO-1   51 3HMC
ATOMNAME PHO-1   52 1HAC
ATOMNAME PHO-1   53 1HBC
ATOMNAME PHO-1   54 2HBC
ATOMNAME PHO-1   55 3HBC
ATOMNAME PHO-1   56 2HAC
ATOMNAME PHO-1   57  N D
ATOMNAME PHO-1   58  C1D
ATOMNAME PHO-1   59  C2D
ATOMNAME PHO-1   60  C3D
ATOMNAME PHO-1   61  C4D
ATOMNAME PHO-1   62  CMD
ATOMNAME PHO-1   63  CAD
ATOMNAME PHO-1   64  OBD
ATOMNAME PHO-1   65  CBD
ATOMNAME PHO-1   66  CGD
ATOMNAME PHO-1   67  O1D
ATOMNAME PHO-1   68  O2D
ATOMNAME PHO-1   69  CED
ATOMNAME PHO-1   70 1HMD
ATOMNAME PHO-1   71 2HMD
ATOMNAME PHO-1   72 3HMD
ATOMNAME PHO-1   73  HBD
ATOMNAME PHO-1   74 1HED
ATOMNAME PHO-1   75 2HED
ATOMNAME PHO-1   76 3HED
ATOMNAME PHO-1   77  HNB
ATOMNAME PHO-1   78  HND

ATOMNAME PHO-O    0  CHA
ATOMNAME PHO-O    1  CHB
ATOMNAME PHO-O    2  CHC
ATOMNAME PHO-O    3  CHD
ATOMNAME PHO-O    4  HHB
ATOMNAME PHO-O    5  HHC
ATOMNAME PHO-O    6  HHD
ATOMNAME PHO-O    7  N A
ATOMNAME PHO-O    8  C1A
ATOMNAME PHO-O    9  C2A
ATOMNAME PHO-O   10  C3A
ATOMNAME PHO-O   11  C4A
ATOMNAME PHO-O   12  CMA
ATOMNAME PHO-O   13  CAA
ATOMNAME PHO-O   14  CBA
ATOMNAME PHO-O   15  CGA
ATOMNAME PHO-O   16  O1A
ATOMNAME PHO-O   17  O2A
ATOMNAME PHO-O   18 1HMA
ATOMNAME PHO-O   19 2HMA
ATOMNAME PHO-O   20 3HMA
ATOMNAME PHO-O   21  H2A
ATOMNAME PHO-O   22  H3A
ATOMNAME PHO-O   23 1HAA
ATOMNAME PHO-O   24 2HAA
ATOMNAME PHO-O   25 1HBA
ATOMNAME PHO-O   26 2HBA
ATOMNAME PHO-O   27  N B
ATOMNAME PHO-O   28  C1B
ATOMNAME PHO-O   29  C2B
ATOMNAME PHO-O   30  C3B
ATOMNAME PHO-O   31  C4B
ATOMNAME PHO-O   32  CMB
ATOMNAME PHO-O   33  CAB
ATOMNAME PHO-O   34  CBB
ATOMNAME PHO-O   35  HAB
ATOMNAME PHO-O   36 1HMB
ATOMNAME PHO-O   37 2HMB
ATOMNAME PHO-O   38 3HMB
ATOMNAME PHO-O   39 1HBB
ATOMNAME PHO-O   40 2HBB
ATOMNAME PHO-O   41  N C
ATOMNAME PHO-O   42  C1C
ATOMNAME PHO-O   43  C2C
ATOMNAME PHO-O   44  C3C
ATOMNAME PHO-O   45  C4C
ATOMNAME PHO-O   46  CMC
ATOMNAME PHO-O   47  CAC
ATOMNAME PHO-O   48  CBC
ATOMNAME PHO-O   49 1HMC
ATOMNAME PHO-O   50 2HMC
ATOMNAME PHO-O   51 3HMC
ATOMNAME PHO-O   52 1HAC
ATOMNAME PHO-O   53 1HBC
ATOMNAME PHO-O   54 2HBC
ATOMNAME PHO-O   55 3HBC
ATOMNAME PHO-O   56 2HAC
ATOMNAME PHO-O   57  N D
ATOMNAME PHO-O   58  C1D
ATOMNAME PHO-O   59  C2D
ATOMNAME PHO-O   60  C3D
ATOMNAME PHO-O   61  C4D
ATOMNAME PHO-O   62  CMD
ATOMNAME PHO-O   63  CAD
ATOMNAME PHO-O   64  OBD
ATOMNAME PHO-O   65  CBD
ATOMNAME PHO-O   66  CGD
ATOMNAME PHO-O   67  O1D
ATOMNAME PHO-O   68  O2D
ATOMNAME PHO-O   69  CED
ATOMNAME PHO-O   70 1HMD
ATOMNAME PHO-O   71 2HMD
ATOMNAME PHO-O   72 3HMD
ATOMNAME PHO-O   73  HBD
ATOMNAME PHO-O   74 1HED
ATOMNAME PHO-O   75 2HED
ATOMNAME PHO-O   76 3HED
ATOMNAME PHO-O   77  HNB
ATOMNAME PHO-O   78  HND

#1.Basic Conformer Informatsp3: name, pka, em, rxn.
#EM form chemistry of chlorophylls K288- james 12/03/04

#23456789A123456789B123456789C
PROTON   PHO01      0
PROTON   PHO-1      0  
PKA      PHO01      0.0 
PKA      PHO-1      0.0
ELECTRON PHO01      0   
ELECTRON PHO-1      1   
EM       PHO01      0 
EM       PHO-1      -0.00 
RXN      PHO01      -8.362
RXN      PHO-1      -14.349


PROTON   PHO0O      0
PROTON   PHO-O      0
PKA      PHO0O      0.0
PKA      PHO-O      0.0
ELECTRON PHO0O      0
ELECTRON PHO-O      1
EM       PHO0O      0
EM       PHO-O      -0.00
RXN      PHO0O      -3.233
RXN      PHO-O      -13.753


#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  PHOBK  C1  ion       0     O2A 0     C2
CONNECT  PHOBK  C2  ion       0     C1  0     C3
CONNECT  PHOBK  C3  ion       0     C2  0     C4  0     C5
CONNECT  PHOBK  C4  ion       0     C3
CONNECT  PHOBK  C5  ion       0     C3
CONNECT  PHOBK  C6  ion        0    C5   0    C7
CONNECT  PHOBK  C7  ion        0    C6   0    C8
CONNECT  PHOBK  C8  ion        0    C7   0    C9   0    C10
CONNECT  PHOBK  C9  ion        0    C8
CONNECT  PHOBK  C10 ion        0    C8   0    C11
CONNECT  PHOBK  C11 ion        0    C10  0    C12
CONNECT  PHOBK  C12 ion        0    C11  0    C13
CONNECT  PHOBK  C13 ion        0    C12  0    C14  0    C15
CONNECT  PHOBK  C14 ion        0    C13
CONNECT  PHOBK  C15 ion        0    C13  0    C16
CONNECT  PHOBK  C16 ion        0    C15  0    C17
CONNECT  PHOBK  C17 ion        0    C16  0    C18
CONNECT  PHOBK  C18 ion        0    C17  0    C19  0    C20
CONNECT  PHOBK  C19 ion        0    C18
CONNECT  PHOBK  C20 ion        0    C18

CONNECT  PHO01  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  PHO01  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  PHO01  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  PHO01  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  PHO01  HHB s         0     CHB
CONNECT  PHO01  HHC s         0     CHC
CONNECT  PHO01  HHD s         0     CHD

CONNECT  PHO01  N A sp2       0     C1A 0     C4A
CONNECT  PHO01  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  PHO01  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  PHO01  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  PHO01  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  PHO01  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  PHO01  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  PHO01  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  PHO01  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  PHO01  O1A s         0     CGA
CONNECT  PHO01  O2A sp3       0     CGA 0     C1
CONNECT  PHO01 1HMA s         0     CMA
CONNECT  PHO01 2HMA s         0     CMA
CONNECT  PHO01 3HMA s         0     CMA
CONNECT  PHO01  H2A s         0     C2A
CONNECT  PHO01  H3A s         0     C3A
CONNECT  PHO01 1HAA s         0     CAA
CONNECT  PHO01 2HAA s         0     CAA
CONNECT  PHO01 1HBA s         0     CBA
CONNECT  PHO01 2HBA s         0     CBA

CONNECT  PHO01  N B sp2       0     HNB 0     C1B 0     C4B
CONNECT  PHO01  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  PHO01  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  PHO01  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  PHO01  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  PHO01  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  PHO01  CAB sp2       0     C3B 0     CBB 0     HAB
CONNECT  PHO01  CBB sp2       0     CAB 0    1HBB 0    2HBB
CONNECT  PHO01  HAB s         0     CAB
CONNECT  PHO01 1HMB s         0     CMB
CONNECT  PHO01 2HMB s         0     CMB
CONNECT  PHO01 3HMB s         0     CMB
CONNECT  PHO01 1HBB s         0     CBB
CONNECT  PHO01 2HBB s         0     CBB
CONNECT  PHO01  HNB s         0     N B

CONNECT  PHO01  N C sp2       0     C1C 0     C4C
CONNECT  PHO01  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  PHO01  C2C sp2       0     C1C 0     CMC 0     C3C
CONNECT  PHO01  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  PHO01  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  PHO01  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  PHO01  CAC sp3       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  PHO01  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  PHO01 1HMC s         0     CMC
CONNECT  PHO01 2HMC s         0     CMC
CONNECT  PHO01 3HMC s         0     CMC
CONNECT  PHO01 1HAC s         0     CAC
CONNECT  PHO01 1HBC s         0     CBC
CONNECT  PHO01 2HBC s         0     CBC
CONNECT  PHO01 3HBC s         0     CBC
CONNECT  PHO01 2HAC s         0     CAC

CONNECT  PHO01  N D sp2       0     HND 0     C1D 0     C4D
CONNECT  PHO01  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  PHO01  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  PHO01  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  PHO01  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  PHO01  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  PHO01  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  PHO01  OBD s         0     CAD
CONNECT  PHO01  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  PHO01  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  PHO01  O1D s         0     CGD
CONNECT  PHO01  O2D sp2       0     CGD 0     CED
CONNECT  PHO01  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED
CONNECT  PHO01 1HMD s         0     CMD
CONNECT  PHO01 2HMD s         0     CMD
CONNECT  PHO01 3HMD s         0     CMD
CONNECT  PHO01  HBD s         0     CBD
CONNECT  PHO01 1HED s         0     CED
CONNECT  PHO01 2HED s         0     CED
CONNECT  PHO01 3HED s         0     CED
CONNECT  PHO01  HND s         0     N D



CONNECT  PHO-1  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  PHO-1  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  PHO-1  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  PHO-1  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  PHO-1  HHB s         0     CHB
CONNECT  PHO-1  HHC s         0     CHC
CONNECT  PHO-1  HHD s         0     CHD

CONNECT  PHO-1  N A sp2       0     C1A 0     C4A
CONNECT  PHO-1  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  PHO-1  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  PHO-1  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  PHO-1  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  PHO-1  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  PHO-1  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  PHO-1  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  PHO-1  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  PHO-1  O1A s         0     CGA
CONNECT  PHO-1  O2A sp3       0     CGA 0     C1
CONNECT  PHO-1 1HMA s         0     CMA
CONNECT  PHO-1 2HMA s         0     CMA
CONNECT  PHO-1 3HMA s         0     CMA
CONNECT  PHO-1  H2A s         0     C2A
CONNECT  PHO-1  H3A s         0     C3A
CONNECT  PHO-1 1HAA s         0     CAA
CONNECT  PHO-1 2HAA s         0     CAA
CONNECT  PHO-1 1HBA s         0     CBA
CONNECT  PHO-1 2HBA s         0     CBA

CONNECT  PHO-1  N B sp2       0     HNB 0     C1B 0     C4B
CONNECT  PHO-1  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  PHO-1  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  PHO-1  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  PHO-1  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  PHO-1  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  PHO-1  CAB sp2       0     C3B 0     CBB 0     HAB
CONNECT  PHO-1  CBB sp2       0     CAB 0    1HBB 0    2HBB
CONNECT  PHO-1  HAB s         0     CAB
CONNECT  PHO-1 1HMB s         0     CMB
CONNECT  PHO-1 2HMB s         0     CMB
CONNECT  PHO-1 3HMB s         0     CMB
CONNECT  PHO-1 1HBB s         0     CBB
CONNECT  PHO-1 2HBB s         0     CBB
CONNECT  PHO-1 2HAC s         0     CAC
CONNECT  PHO-1  HNB s         0     HNB

CONNECT  PHO-1  N C sp2       0     C1C 0     C4C
CONNECT  PHO-1  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  PHO-1  C2C sp2       0     C1C 0     CMC 0     C3C
CONNECT  PHO-1  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  PHO-1  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  PHO-1  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  PHO-1  CAC sp2       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  PHO-1  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  PHO-1 1HMC s         0     CMC
CONNECT  PHO-1 2HMC s         0     CMC
CONNECT  PHO-1 3HMC s         0     CMC
CONNECT  PHO-1 1HAC s         0     CAC
CONNECT  PHO-1 1HBC s         0     CBC
CONNECT  PHO-1 2HBC s         0     CBC
CONNECT  PHO-1 3HBC s         0     CBC

CONNECT  PHO-1  N D sp2       0     HND 0     C1D 0     C4D
CONNECT  PHO-1  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  PHO-1  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  PHO-1  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  PHO-1  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  PHO-1  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  PHO-1  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  PHO-1  OBD s         0     CAD
CONNECT  PHO-1  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  PHO-1  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  PHO-1  O1D s         0     CGD
CONNECT  PHO-1  O2D sp2       0     CGD 0     CED
CONNECT  PHO-1  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED
CONNECT  PHO-1 1HMD s         0     CMD
CONNECT  PHO-1 2HMD s         0     CMD
CONNECT  PHO-1 3HMD s         0     CMD
CONNECT  PHO-1  HBD s         0     CBD
CONNECT  PHO-1 1HED s         0     CED
CONNECT  PHO-1 2HED s         0     CED
CONNECT  PHO-1 3HED s         0     CED
CONNECT  PHO-1  HND s         0     N D


CONNECT  PHO0O  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  PHO0O  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  PHO0O  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  PHO0O  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  PHO0O  HHB s         0     CHB
CONNECT  PHO0O  HHC s         0     CHC
CONNECT  PHO0O  HHD s         0     CHD

CONNECT  PHO0O  N A sp2       0     C1A 0     C4A
CONNECT  PHO0O  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  PHO0O  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  PHO0O  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  PHO0O  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  PHO0O  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  PHO0O  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  PHO0O  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  PHO0O  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  PHO0O  O1A s         0     CGA
CONNECT  PHO0O  O2A sp3       0     CGA 0     C1
CONNECT  PHO0O 1HMA s         0     CMA
CONNECT  PHO0O 2HMA s         0     CMA
CONNECT  PHO0O 3HMA s         0     CMA
CONNECT  PHO0O  H2A s         0     C2A
CONNECT  PHO0O  H3A s         0     C3A
CONNECT  PHO0O 1HAA s         0     CAA
CONNECT  PHO0O 2HAA s         0     CAA
CONNECT  PHO0O 1HBA s         0     CBA
CONNECT  PHO0O 2HBA s         0     CBA

CONNECT  PHO0O  N B sp2       0     HNB 0     C1B 0     C4B
CONNECT  PHO0O  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  PHO0O  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  PHO0O  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  PHO0O  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  PHO0O  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  PHO0O  CAB sp2       0     C3B 0     CBB 0     HAB
CONNECT  PHO0O  CBB sp2       0     CAB 0    1HBB 0    2HBB
CONNECT  PHO0O  HAB s         0     CAB
CONNECT  PHO0O 1HMB s         0     CMB
CONNECT  PHO0O 2HMB s         0     CMB
CONNECT  PHO0O 3HMB s         0     CMB
CONNECT  PHO0O 1HBB s         0     CBB
CONNECT  PHO0O 2HBB s         0     CBB
CONNECT  PHO0O  HNB s         0     N B

CONNECT  PHO0O  N C sp2       0     C1C 0     C4C
CONNECT  PHO0O  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  PHO0O  C2C sp2       0     C1C 0     CMC 0     C3C
CONNECT  PHO0O  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  PHO0O  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  PHO0O  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  PHO0O  CAC sp3       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  PHO0O  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  PHO0O 1HMC s         0     CMC
CONNECT  PHO0O 2HMC s         0     CMC
CONNECT  PHO0O 3HMC s         0     CMC
CONNECT  PHO0O 1HAC s         0     CAC
CONNECT  PHO0O 1HBC s         0     CBC
CONNECT  PHO0O 2HBC s         0     CBC
CONNECT  PHO0O 3HBC s         0     CBC
CONNECT  PHO0O 2HAC s         0     CAC

CONNECT  PHO0O  N D sp2       0     HND 0     C1D 0     C4D
CONNECT  PHO0O  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  PHO0O  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  PHO0O  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  PHO0O  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  PHO0O  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  PHO0O  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  PHO0O  OBD s         0     CAD
CONNECT  PHO0O  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  PHO0O  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  PHO0O  O1D s         0     CGD
CONNECT  PHO0O  O2D sp2       0     CGD 0     CED
CONNECT  PHO0O  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED
CONNECT  PHO0O 1HMD s         0     CMD
CONNECT  PHO0O 2HMD s         0     CMD
CONNECT  PHO0O 3HMD s         0     CMD
CONNECT  PHO0O  HBD s         0     CBD
CONNECT  PHO0O 1HED s         0     CED
CONNECT  PHO0O 2HED s         0     CED
CONNECT  PHO0O 3HED s         0     CED
CONNECT  PHO0O  HND s         0     N D


CONNECT  PHO-O  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  PHO-O  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  PHO-O  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  PHO-O  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  PHO-O  HHB s         0     CHB
CONNECT  PHO-O  HHC s         0     CHC
CONNECT  PHO-O  HHD s         0     CHD

CONNECT  PHO-O  N A sp2       0     C1A 0     C4A
CONNECT  PHO-O  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  PHO-O  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  PHO-O  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  PHO-O  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  PHO-O  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  PHO-O  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  PHO-O  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  PHO-O  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  PHO-O  O1A s         0     CGA
CONNECT  PHO-O  O2A sp3       0     CGA 0     C1
CONNECT  PHO-O 1HMA s         0     CMA
CONNECT  PHO-O 2HMA s         0     CMA
CONNECT  PHO-O 3HMA s         0     CMA
CONNECT  PHO-O  H2A s         0     C2A
CONNECT  PHO-O  H3A s         0     C3A
CONNECT  PHO-O 1HAA s         0     CAA
CONNECT  PHO-O 2HAA s         0     CAA
CONNECT  PHO-O 1HBA s         0     CBA
CONNECT  PHO-O 2HBA s         0     CBA

CONNECT  PHO-O  N B sp2       0     HNB 0     C1B 0     C4B
CONNECT  PHO-O  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  PHO-O  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  PHO-O  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  PHO-O  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  PHO-O  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  PHO-O  CAB sp2       0     C3B 0     CBB 0     HAB
CONNECT  PHO-O  CBB sp2       0     CAB 0    1HBB 0    2HBB
CONNECT  PHO-O  HAB s         0     CAB
CONNECT  PHO-O 1HMB s         0     CMB
CONNECT  PHO-O 2HMB s         0     CMB
CONNECT  PHO-O 3HMB s         0     CMB
CONNECT  PHO-O 1HBB s         0     CBB
CONNECT  PHO-O 2HBB s         0     CBB
CONNECT  PHO-O 2HAC s         0     CAC
CONNECT  PHO-O  HNB s         0     N B

CONNECT  PHO-O  N C sp2       0     C1C 0     C4C
CONNECT  PHO-O  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  PHO-O  C2C sp2       0     C1C 0     CMC 0     C3C
CONNECT  PHO-O  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  PHO-O  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  PHO-O  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  PHO-O  CAC sp2       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  PHO-O  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  PHO-O 1HMC s         0     CMC
CONNECT  PHO-O 2HMC s         0     CMC
CONNECT  PHO-O 3HMC s         0     CMC
CONNECT  PHO-O 1HAC s         0     CAC
CONNECT  PHO-O 1HBC s         0     CBC
CONNECT  PHO-O 2HBC s         0     CBC
CONNECT  PHO-O 3HBC s         0     CBC

CONNECT  PHO-O  N D sp2       0     HND 0     C1D 0     C4D
CONNECT  PHO-O  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  PHO-O  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  PHO-O  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  PHO-O  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  PHO-O  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  PHO-O  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  PHO-O  OBD s         0     CAD
CONNECT  PHO-O  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  PHO-O  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  PHO-O  O1D s         0     CGD
CONNECT  PHO-O  O2D sp2       0     CGD 0     CED
CONNECT  PHO-O  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED
CONNECT  PHO-O 1HMD s         0     CMD
CONNECT  PHO-O 2HMD s         0     CMD
CONNECT  PHO-O 3HMD s         0     CMD
CONNECT  PHO-O  HBD s         0     CBD
CONNECT  PHO-O 1HED s         0     CED
CONNECT  PHO-O 2HED s         0     CED
CONNECT  PHO-O 3HED s         0     CED
CONNECT  PHO-O  HND s         0     N D


#3.Atom Parameters: Partial Charges and Radii
#23456789A123456789B123456789C
RADIUS   PHO    N A 1.50
RADIUS   PHO    N B 1.50
RADIUS   PHO    N C 1.50
RADIUS   PHO    N D 1.50

RADIUS   PHO    C1  1.80
RADIUS   PHO    C2  1.80
RADIUS   PHO    C3  1.80 
RADIUS   PHO    C4  1.80
RADIUS   PHO    C5  1.80
RADIUS   PHO    CHA 1.80
RADIUS   PHO    CHB 1.80
RADIUS   PHO    CHC 1.80
RADIUS   PHO    CHD 1.80
RADIUS   PHO    C1A 1.80
RADIUS   PHO    C2A 1.80
RADIUS   PHO    C3A 1.80
RADIUS   PHO    C4A 1.80
RADIUS   PHO    CMA 1.80
RADIUS   PHO    CAA 1.80
RADIUS   PHO    CBA 1.80
RADIUS   PHO    CGA 1.80
RADIUS   PHO    C1B 1.80
RADIUS   PHO    C2B 1.80
RADIUS   PHO    C3B 1.80
RADIUS   PHO    C4B 1.80
RADIUS   PHO    CMB 1.80
RADIUS   PHO    CAB 1.80
RADIUS   PHO    CBB 1.80
RADIUS   PHO    C1C 1.80
RADIUS   PHO    C2C 1.80
RADIUS   PHO    C3C 1.80
RADIUS   PHO    C4C 1.80
RADIUS   PHO    CMC 1.80
RADIUS   PHO    CAC 1.80
RADIUS   PHO    CBC 1.80
RADIUS   PHO    C1D 1.80
RADIUS   PHO    C2D 1.80
RADIUS   PHO    C3D 1.80
RADIUS   PHO    C4D 1.80
RADIUS   PHO    CMD 1.80
RADIUS   PHO    CAD 1.80
RADIUS   PHO    CBD 1.80
RADIUS   PHO    CGD 1.80
RADIUS   PHO    CED 1.80

RADIUS   PHO    O1A 1.60
RADIUS   PHO    O2A 1.60
RADIUS   PHO    HAB 1.20
RADIUS   PHO    OBD 1.60
RADIUS   PHO    O1D 1.60
RADIUS   PHO    O2D 1.60

RADIUS   PHO    HHB 1.20
RADIUS   PHO    HHC 1.20
RADIUS   PHO    HHD 1.20
RADIUS   PHO   1HMA 1.20
RADIUS   PHO   2HMA 1.20
RADIUS   PHO   3HMA 1.20
RADIUS   PHO    H2A 1.20
RADIUS   PHO    H3A 1.20
RADIUS   PHO   1HAA 1.20
RADIUS   PHO   2HAA 1.20
RADIUS   PHO   1HBA 1.20
RADIUS   PHO   2HBA 1.20
RADIUS   PHO   1HMB 1.20
RADIUS   PHO   2HMB 1.20
RADIUS   PHO   3HMB 1.20
RADIUS   PHO   1HBB 1.20
RADIUS   PHO   2HBB 1.20
RADIUS   PHO   2HAC 1.20
RADIUS   PHO   1HMC 1.20
RADIUS   PHO   2HMC 1.20
RADIUS   PHO   3HMC 1.20
RADIUS   PHO   1HAC 1.20
RADIUS   PHO    H2C 1.20
RADIUS   PHO   1HBC 1.20
RADIUS   PHO   2HBC 1.20
RADIUS   PHO   3HBC 1.20
RADIUS   PHO   1HMD 1.20
RADIUS   PHO   2HMD 1.20
RADIUS   PHO   3HMD 1.20
RADIUS   PHO    HBD 1.20
RADIUS   PHO   1HED 1.20
RADIUS   PHO   2HED 1.20
RADIUS   PHO   3HED 1.20
RADIUS   PHO    HNB 1.20
RADIUS   PHO    HND 1.20

#23456789A123456789B123456789C
#Backbone------------------
CHARGE   PHOBK  C1    0.000
CHARGE   PHOBK  C2    0.000
CHARGE   PHOBK  C3    0.000 
CHARGE   PHOBK  C4    0.000
CHARGE   PHOBK  C5    0.000
CHARGE   PHOBK  C6    0.000   
CHARGE   PHOBK  C7    0.000   
CHARGE   PHOBK  C8    0.000   
CHARGE   PHOBK  C9    0.000   
CHARGE   PHOBK  C10   0.000   
CHARGE   PHOBK  C11   0.000   
CHARGE   PHOBK  C12   0.000   
CHARGE   PHOBK  C13   0.000   
CHARGE   PHOBK  C14   0.000   
CHARGE   PHOBK  C15   0.000   
CHARGE   PHOBK  C16   0.000   
CHARGE   PHOBK  C17   0.000   
CHARGE   PHOBK  C18   0.000   
CHARGE   PHOBK  C19   0.000   
CHARGE   PHOBK  C20   0.000   

#From Old BPH file

CHARGE   PHO0O  CHB   0.019
CHARGE   PHO0O  HHB   0.000
CHARGE   PHO0O  C1B   0.078
CHARGE   PHO0O  C2B  -0.001
CHARGE   PHO0O  CMB  -0.291
CHARGE   PHO0O 1HMB   0.097
CHARGE   PHO0O 2HMB   0.097
CHARGE   PHO0O 3HMB   0.097
CHARGE   PHO0O  C3B  -0.012
CHARGE   PHO0O  CAB   0.220
CHARGE   PHO0O  CBB  -0.291
CHARGE   PHO0O 1HBB   0.145
CHARGE   PHO0O 2HBB   0.146
CHARGE   PHO0O  HAB  -0.287
CHARGE   PHO0O  C4B   0.101
CHARGE   PHO0O  N B  -0.194
CHARGE   PHO0O  CHC   0.019
CHARGE   PHO0O  HHC   0.000
CHARGE   PHO0O  C1C   0.052
CHARGE   PHO0O  C2C   0.000
CHARGE   PHO0O  H2C   0.097
CHARGE   PHO0O  CMC  -0.291
CHARGE   PHO0O 1HMC   0.097
CHARGE   PHO0O 2HMC   0.097
CHARGE   PHO0O 3HMC   0.097
CHARGE   PHO0O  C3C   0.000
CHARGE   PHO0O  CAC  -0.097
CHARGE   PHO0O 1HAC   0.048
CHARGE   PHO0O 2HAC   0.049
CHARGE   PHO0O  CBC  -0.291
CHARGE   PHO0O 1HBC   0.097
CHARGE   PHO0O 2HBC   0.097
CHARGE   PHO0O 3HBC   0.097
CHARGE   PHO0O  C4C   0.097
CHARGE   PHO0O  N C  -0.041
CHARGE   PHO0O  CHD   0.040
CHARGE   PHO0O  HHD   0.000
CHARGE   PHO0O  C1D   0.062
CHARGE   PHO0O  C2D   0.026
CHARGE   PHO0O  CMD  -0.291
CHARGE   PHO0O 1HMD   0.097
CHARGE   PHO0O 2HMD   0.097
CHARGE   PHO0O 3HMD   0.097
CHARGE   PHO0O  C3D  -0.027
CHARGE   PHO0O  CAD   0.213
CHARGE   PHO0O  OBD  -0.264
CHARGE   PHO0O  CBD  -0.097
CHARGE   PHO0O  HBD   0.097
CHARGE   PHO0O  CGD   0.700
CHARGE   PHO0O  O1D  -0.350
CHARGE   PHO0O  O2D  -0.350
CHARGE   PHO0O  CED  -0.291
CHARGE   PHO0O 1HED   0.097
CHARGE   PHO0O 2HED   0.097
CHARGE   PHO0O 3HED   0.097
CHARGE   PHO0O  C4D   0.101
CHARGE   PHO0O  N D  -0.207
CHARGE   PHO0O  CHA  -0.066
CHARGE   PHO0O  C1A   0.065
CHARGE   PHO0O  C2A  -0.097
CHARGE   PHO0O  H2A   0.097
CHARGE   PHO0O  CAA  -0.194
CHARGE   PHO0O 1HAA   0.097
CHARGE   PHO0O 2HAA   0.097
CHARGE   PHO0O  CBA  -0.194
CHARGE   PHO0O 1HBA   0.097
CHARGE   PHO0O 2HBA   0.097
CHARGE   PHO0O  CGA   0.700
CHARGE   PHO0O  O1A  -0.350
CHARGE   PHO0O  O2A  -0.350
CHARGE   PHO0O  C3A  -0.097
CHARGE   PHO0O  H3A   0.097
CHARGE   PHO0O  CMA  -0.291
CHARGE   PHO0O 1HMA   0.097
CHARGE   PHO0O 2HMA   0.097
CHARGE   PHO0O 3HMA   0.097
CHARGE   PHO0O  C4A   0.086
CHARGE   PHO0O  N A  -0.080
CHARGE   PHO0O  HNB   0.000
CHARGE   PHO0O  HND   0.000
CHARGE   PHO0O  HBD   0.097



CHARGE   PHO-O  CHB  -0.016
CHARGE   PHO-O  HHB   0.000
CHARGE   PHO-O  C1B  -0.008
CHARGE   PHO-O  C2B  -0.041
CHARGE   PHO-O  CMB  -0.291
CHARGE   PHO-O 1HMB   0.097
CHARGE   PHO-O 2HMB   0.097
CHARGE   PHO-O 3HMB   0.097
CHARGE   PHO-O  C3B  -0.044
CHARGE   PHO-O  CAB   0.220
CHARGE   PHO-O  CBB  -0.291
CHARGE   PHO-O 1HBB   0.146
CHARGE   PHO-O 2HBB   0.145
CHARGE   PHO-O  HAB  -0.287
CHARGE   PHO-O  C4B  -0.019
CHARGE   PHO-O  N B  -0.208
CHARGE   PHO-O  CHC   0.017
CHARGE   PHO-O  HHC   0.000
CHARGE   PHO-O  C1C  -0.024
CHARGE   PHO-O  C2C   0.000
CHARGE   PHO-O  H2C   0.097
CHARGE   PHO-O  CMC  -0.291
CHARGE   PHO-O 1HMC   0.097
CHARGE   PHO-O 2HMC   0.097
CHARGE   PHO-O 3HMC   0.097
CHARGE   PHO-O  C3C   0.000
CHARGE   PHO-O  CAC  -0.097
CHARGE   PHO-O 1HAC   0.048
CHARGE   PHO-O 2HAC   0.049
CHARGE   PHO-O  CBC  -0.291
CHARGE   PHO-O 1HBC   0.097
CHARGE   PHO-O 2HBC   0.097
CHARGE   PHO-O 3HBC   0.097
CHARGE   PHO-O  C4C  -0.023
CHARGE   PHO-O  N C  -0.054
CHARGE   PHO-O  CHD   0.010
CHARGE   PHO-O  HHD   0.000
CHARGE   PHO-O  C1D  -0.008
CHARGE   PHO-O  C2D  -0.009
CHARGE   PHO-O  CMD  -0.291
CHARGE   PHO-O 1HMD   0.097
CHARGE   PHO-O 2HMD   0.097
CHARGE   PHO-O 3HMD   0.097
CHARGE   PHO-O  C3D  -0.047
CHARGE   PHO-O  CAD   0.213
CHARGE   PHO-O  OBD  -0.269
CHARGE   PHO-O  CBD  -0.097
CHARGE   PHO-O  HBD   0.097
CHARGE   PHO-O  CGD   0.700
CHARGE   PHO-O  O1D  -0.350
CHARGE   PHO-O  O2D  -0.350
CHARGE   PHO-O  CED  -0.291
CHARGE   PHO-O 1HED   0.097
CHARGE   PHO-O 2HED   0.097
CHARGE   PHO-O 3HED   0.097
CHARGE   PHO-O  C4D   0.007
CHARGE   PHO-O  N D  -0.224
CHARGE   PHO-O  CHA  -0.072
CHARGE   PHO-O  C1A   0.008
CHARGE   PHO-O  C2A  -0.097
CHARGE   PHO-O  H2A   0.097
CHARGE   PHO-O  CAA  -0.194
CHARGE   PHO-O 1HAA   0.097
CHARGE   PHO-O 2HAA   0.097
CHARGE   PHO-O  CBA  -0.194
CHARGE   PHO-O 1HBA   0.097
CHARGE   PHO-O 2HBA   0.097
CHARGE   PHO-O  CGA   0.700
CHARGE   PHO-O  O1A  -0.350
CHARGE   PHO-O  O2A  -0.350
CHARGE   PHO-O  C3A  -0.097
CHARGE   PHO-O  H3A   0.097
CHARGE   PHO-O  CMA  -0.291
CHARGE   PHO-O 1HMA   0.097
CHARGE   PHO-O 2HMA   0.097
CHARGE   PHO-O 3HMA   0.097
CHARGE   PHO-O  C4A  -0.022
CHARGE   PHO-O  N A  -0.100
CHARGE   PHO-O  HNB   0.000
CHARGE   PHO-O  HND   0.000
CHARGE   PHO-O  HBD   0.097

CHARGE   PHO01  CHA       -0.296612
CHARGE   PHO01  CHB       -0.485865
CHARGE   PHO01  CHC       -0.014101
CHARGE   PHO01  CHD       -0.466599
CHARGE   PHO01  N A       -0.520085
CHARGE   PHO01  C1A       0.206119
CHARGE   PHO01  C2A       0.288211
CHARGE   PHO01  C3A       0.025492
CHARGE   PHO01  C4A       0.293683
CHARGE   PHO01  CMA       -0.011482
CHARGE   PHO01  CAA       0.348182
CHARGE   PHO01  CBA       -0.601961
CHARGE   PHO01  CGA       1.088145
CHARGE   PHO01  O1A       -0.710102
CHARGE   PHO01  O2A       -0.216
CHARGE   PHO01  N B       -0.289276
CHARGE   PHO01  C1B       0.38191
CHARGE   PHO01  C2B       -0.248434
CHARGE   PHO01  C3B       0.103452
CHARGE   PHO01  C4B       -0.088054
CHARGE   PHO01  CMB       0.160858
CHARGE   PHO01  CAB       0.046876
CHARGE   PHO01  CBB       -0.312255
CHARGE   PHO01  N C       -0.52339
CHARGE   PHO01  C1C       0.09702
CHARGE   PHO01  C2C       -0.000298
CHARGE   PHO01  C3C       -0.305939
CHARGE   PHO01  C4C       0.355334
CHARGE   PHO01  CMC       -0.015692
CHARGE   PHO01  CAC       0.220005
CHARGE   PHO01  CBC       0.187763
CHARGE   PHO01  C1D       0.061761
CHARGE   PHO01  C2D       -0.001175
CHARGE   PHO01  C3D       -0.340984
CHARGE   PHO01  C4D       0.303923
CHARGE   PHO01  CMD       0.194052
CHARGE   PHO01  CAD       0.697932
CHARGE   PHO01  OBD       -0.618422
CHARGE   PHO01  CBD       -0.163341
CHARGE   PHO01  CGD       0.829184
CHARGE   PHO01  O1D       -0.643387
CHARGE   PHO01  O2D       -0.249556
CHARGE   PHO01  CED       -0.099576
CHARGE   PHO01  HHB       0.16122
CHARGE   PHO01  HHC       0.086095
CHARGE   PHO01  HHD       0.363813
CHARGE   PHO01  H2A       -0.013581
CHARGE   PHO01  H3A       0.021454
CHARGE   PHO01 1HMA       -0.02122
CHARGE   PHO01 2HMA       0.003435
CHARGE   PHO01 3HMA       -0.000857
CHARGE   PHO01 1HAA       -0.191592
CHARGE   PHO01 2HAA       -0.106308
CHARGE   PHO01 1HBA       0.129167
CHARGE   PHO01 2HBA       0.138495
CHARGE   PHO01 1HMB       -0.019225
CHARGE   PHO01 2HMB       -0.017141
CHARGE   PHO01 3HMB       -0.029682
CHARGE   PHO01  HAB       0.06477
CHARGE   PHO01 1HBB       0.116056
CHARGE   PHO01 2HBB       0.132781
CHARGE   PHO01 1HMC       0.067267
CHARGE   PHO01 2HMC       -0.008538
CHARGE   PHO01 3HMC       0.008236
CHARGE   PHO01 1HAC       -0.050419
CHARGE   PHO01 2HAC       -0.08046
CHARGE   PHO01 1HBC       -0.065755
CHARGE   PHO01 2HBC       -0.058646
CHARGE   PHO01 3HBC       -0.074287
CHARGE   PHO01 1HMD       -0.080296
CHARGE   PHO01 2HMD       0.028408
CHARGE   PHO01 3HMD       -0.004943
CHARGE   PHO01  HBD       0.01348
CHARGE   PHO01 1HED       0.106298
CHARGE   PHO01 2HED       0.09222
CHARGE   PHO01 3HED       0.096527
CHARGE   PHO01  N D       -0.020254
CHARGE   PHO01  HNB       0.255034
CHARGE   PHO01  HND       0.293133

CHARGE   PHO-1  CHA       -0.175968
CHARGE   PHO-1  CHB       -0.540657
CHARGE   PHO-1  CHC       -0.146315
CHARGE   PHO-1  CHD       -0.544282
CHARGE   PHO-1  N A       -0.450289
CHARGE   PHO-1  C1A       0.07864
CHARGE   PHO-1  C2A       0.240616
CHARGE   PHO-1  C3A       0.082319
CHARGE   PHO-1  C4A       0.213856
CHARGE   PHO-1  CMA       0.037444
CHARGE   PHO-1  CAA       0.365184
CHARGE   PHO-1  CBA       -0.602816
CHARGE   PHO-1  CGA       1.106509
CHARGE   PHO-1  O1A       -0.733031
CHARGE   PHO-1  O2A       -0.235032
CHARGE   PHO-1  N B       -0.292042
CHARGE   PHO-1  C1B       0.335928
CHARGE   PHO-1  C2B       -0.242747
CHARGE   PHO-1  C3B       0.04666
CHARGE   PHO-1  C4B       -0.039281
CHARGE   PHO-1  CMB       0.161813
CHARGE   PHO-1  CAB       0.092499
CHARGE   PHO-1  CBB       -0.340901
CHARGE   PHO-1  N C       -0.530329
CHARGE   PHO-1  C1C       0.124573
CHARGE   PHO-1  C2C       -0.043972
CHARGE   PHO-1  C3C       -0.345228
CHARGE   PHO-1  C4C       0.315781
CHARGE   PHO-1  CMC       0.056299
CHARGE   PHO-1  CAC       0.264995
CHARGE   PHO-1  CBC       0.215885
CHARGE   PHO-1  C1D       0.125756
CHARGE   PHO-1  C2D       -0.103764
CHARGE   PHO-1  C3D       -0.269898
CHARGE   PHO-1  C4D       0.138533
CHARGE   PHO-1  CMD       0.237805
CHARGE   PHO-1  CAD       0.715026
CHARGE   PHO-1  OBD       -0.650111
CHARGE   PHO-1  CBD       -0.225231
CHARGE   PHO-1  CGD       0.862984
CHARGE   PHO-1  O1D       -0.668354
CHARGE   PHO-1  O2D       -0.244223
CHARGE   PHO-1  CED       -0.093511
CHARGE   PHO-1  HHB       0.151977
CHARGE   PHO-1  HHC       0.092552
CHARGE   PHO-1  HHD       0.381733
CHARGE   PHO-1  H2A       -0.017379
CHARGE   PHO-1  H3A       -0.002532
CHARGE   PHO-1 1HMA       -0.051946
CHARGE   PHO-1 2HMA       -0.017359
CHARGE   PHO-1 3HMA       -0.046292
CHARGE   PHO-1 1HAA       -0.199244
CHARGE   PHO-1 2HAA       -0.115701
CHARGE   PHO-1 1HBA       0.109308
CHARGE   PHO-1 2HBA       0.134631
CHARGE   PHO-1 1HMB       -0.038256
CHARGE   PHO-1 2HMB       -0.026907
CHARGE   PHO-1 3HMB       -0.044841
CHARGE   PHO-1  HAB       0.041213
CHARGE   PHO-1 1HBB       0.107833
CHARGE   PHO-1 2HBB       0.111502
CHARGE   PHO-1 1HMC       0.035084
CHARGE   PHO-1 2HMC       -0.043078
CHARGE   PHO-1 3HMC       -0.025413
CHARGE   PHO-1 1HAC       -0.075677
CHARGE   PHO-1 2HAC       -0.102796
CHARGE   PHO-1 1HBC       -0.099272
CHARGE   PHO-1 2HBC       -0.072569
CHARGE   PHO-1 3HBC       -0.082783
CHARGE   PHO-1 1HMD       -0.106497
CHARGE   PHO-1 2HMD       -0.009528
CHARGE   PHO-1 3HMD       -0.039606
CHARGE   PHO-1  HBD       0.012667
CHARGE   PHO-1 1HED       0.093427
CHARGE   PHO-1 2HED       0.082073
CHARGE   PHO-1 3HED       0.086883
CHARGE   PHO-1  N D       -0.042867
CHARGE   PHO-1  HNB       0.234619
CHARGE   PHO-1  HND       0.279916
